SCHEMBL378741

SCHEMBL378741

Cn1c(SCCCN2C[C@@H]3C[C@@]3(c3ccc(OC(F)(F)F)cc3)C2)nnc1C1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 18/20 0.67
KCNH2 Q12809 18/20 0.67
DRD2 P14416 18/20 0.67
CYP1A2 P05177 1/20 0.55
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL378700 1.00 DRD3 (0.67) DRD3KCNH2DRD2CYP1A2CHRM1
SCHEMBL12313269 1.00 DRD3 (0.67) DRD3KCNH2DRD2CYP1A2CHRM1
SCHEMBL11914878 1.00 DRD3 (0.67) DRD3KCNH2DRD2CYP1A2CHRM1
SCHEMBL378740 1.00 DRD3 (0.67) DRD3KCNH2DRD2CYP1A2CHRM1
SCHEMBL11911794 1.00 DRD3 (0.67) DRD3KCNH2DRD2CYP1A2CHRM1
SCHEMBL378630 0.90 DRD2 (0.68) DRD3KCNH2DRD2CYP1A2CHRM1
Hydrochloric Acid SCHEMBL4433075 0.90 DRD2 (0.67) DRD3KCNH2DRD2CYP1A2CHRM1
Hydrochloric Acid SCHEMBL4551295 0.90 DRD2 (0.67) DRD3KCNH2DRD2CYP1A2CHRM1
SCHEMBL378474 0.87 KCNH2 (0.64) DRD3KCNH2DRD2CYP1A2
Hydrochloric Acid SCHEMBL378310 0.86 KCNH2 (0.63) DRD3KCNH2DRD2CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2060570-B1 Azabicyclo[3.1.0] hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LTD (GB) 2012-01-25 EP claimed